Proton linked¶
This fits a global model to a collection of ITC experiments collected in buffers of the same pH, but different ionization enthalpies.
This is useful for analyzing a binding reaction that involves the gain or loss of a proton. The measured enthalpy will have a binding component and an ionization component. These can be separated by performing ITC experiments using buffers with different ionization enthalpies.
Scheme¶
\[\Delta H_{obs,buffer} = \Delta H_{intrinsic} + \Delta H_{ionization,buffer} \times n_{proton},\]
where \(\Delta H_{intrinsic}\) is the buffer-independent binding enthalpy, \(\Delta H_{ionization,buffer}\) is the buffer ionization enthalpy, and \(n_{proton}\) is the number of protons gained or lost.
Parameters¶
| parameter | variable | parameter name | class |
|---|---|---|---|
| association constant | \(\Delta H_{intrinsic}\) | dH_intrinsic |
thermodynamic |
| binding enthalpy | \(n_{proton}\) | num_protons |
thermodynamic |
Required data for each experiment¶
| data | variable | parameter name |
|---|---|---|
| ioinzation enthalpy | \(\Delta H_{ionization,buffer}\) | ionization_enthalpy |